CID 145709175

1608143-73-2

Structural Information

Molecular Formula
C8H10F2O4
SMILES
COC(=O)[C@@H]1CC(C[C@H]1C(=O)O)(F)F
InChI
InChI=1S/C8H10F2O4/c1-14-7(13)5-3-8(9,10)2-4(5)6(11)12/h4-5H,2-3H2,1H3,(H,11,12)/t4-,5-/m1/s1
InChIKey
BRENZFDSACTDDA-RFZPGFLSSA-N
Compound name
trans-(1R,2R)-4,4-difluoro-2-methoxycarbonylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.05472 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.061996 138.5
[M+Na]+ 231.043938 146.6
[M-H]- 207.047444 138.4
[M+NH4]+ 226.088543 160.4
[M+K]+ 247.017878 145.7
[M+H-H2O]+ 191.051980 133.4
[M+HCOO]- 253.052921 156.8
[M+CH3COO]- 267.068571 181.3
[M+Na-2H]- 229.029386 139.3
[M]+ 208.05417142 135.8
[M]- 208.05526858 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.